SCHEMBL4897570

SCHEMBL4897570

C=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.66
HDAC3 O15379 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC2 Q92769 4/20 0.66
HDAC4 P56524 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
KCNH2 Q12809 3/20 0.62
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14066526 0.91 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4898854 0.89 HDAC1 (0.57) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4892032 0.87 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4895567 0.86 ALDH1A1 (0.58) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL14066528 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4898506 0.84 PTGS1 (0.57) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL8268732 0.82 PTGS1 (0.56) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4896072 0.82 HDAC1 (0.68) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL5164057 0.82 HDAC1 (0.72) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL4890445 0.81 HDAC1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP claimed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO claimed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 HDAC1 4/4885HDAC3 5/4885HDAC8 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.